element(s):
['Al', 'Co']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.9525']
Parameter values for parameter set 1:
['2.8121']
model name:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9525, 0, 0], [0, 2.9525, 0], [0, 0, 2.9525]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:40       -8.798544        1.0084
BFGS:    1 14:42:40       -8.837890        0.8098
BFGS:    2 14:42:40       -8.899966        0.0208
BFGS:    3 14:42:40       -8.899999        0.0029
BFGS:    4 14:42:40       -8.900000        0.0000
BFGS:    5 14:42:40       -8.900000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0036989910384156e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.859038548224312, 3.1469023943478305e-33, -4.131794035330962e-34], [3.001596143657784e-34, 2.859038548224312, 1.6213579626672198e-19], [8.072869783301539e-34, 1.6213579626671666e-19, 2.859038548224312]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.00369899e-10 -3.00369899e-10 -3.00369899e-10 -3.62782067e-27
 -5.02642472e-34  6.67632522e-51]
energy per atom =  -4.449999919804192
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8121, 0, 0], [0, 2.8121, 0], [0, 0, 2.8121]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:41       -8.869631        0.6241
BFGS:    1 14:42:41       -8.883936        0.4470
BFGS:    2 14:42:41       -8.899900        0.0339
BFGS:    3 14:42:41       -8.899999        0.0021
BFGS:    4 14:42:41       -8.900000        0.0000
BFGS:    5 14:42:41       -8.900000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8324317351545707e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8590385482404534, 1.8025262372675513e-34, -2.0689943537636227e-33], [7.230714569339426e-34, 2.8590385482404534, 1.6827598422805497e-19], [-2.3125928561577863e-33, 1.6827598422804866e-19, 2.8590385482404534]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.83243174e-10 -2.83243174e-10 -2.83243174e-10  1.53720475e-25
 -1.23820218e-59  1.57319892e-59]
energy per atom =  -4.449999919804186
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0